Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNQLNELKRKMLEFFQQKQKNKKSARPGKKGSSTKKSKTLDKSAIFPAILLSIKALFNLLFVLGFLGGMLGAGIALGYGVALFDKVRVPQTEELVNQVKDISSISEITYSDGTVIASIESDLLRTSISSEQISENLKKAIIATEDEHFKEHKGVVPKAVIRATLGKFVGLGSSSGGSTLTQQLIKQQVVGDAPTLARKAAEIVDALALERAMNKDEILTTYLNVAPFGRNNKGQNIAGARQAAEGIFGVDASQLTVPQAAFLAGLPQSPITYSPYENTGELKSDEDLEIGLRRAKAVLYSMYRTGALSKDEYSQYKDYDLKQDFLPSGTVTGISRDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLD--DGTGRVEVGNVLMDNQTGAILGFVGGRNYQE-NQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNF-ANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPE-YGIESLPMGGG-IEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTN-------QDENMWLMLSTPRLTLGGWIGHDDNHSLSR--RAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLPTPSSSSSSSSSSSDSSNSSTTRPSSSRARR 3ZG9 Chain:B ((9-464)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDEIMEMYLNRSYFGNGE-----WGVENASLKYFGKSAADLNIPEAATIAGLLQAPSAYDPYQ---------HIDKATNRRNMVLNAMVETGTISKAEGDKYKATKIVLNDQS-KDPLANKYPWYVDAVINEAVN--------EADI-----------------TQDEIMQKGYKIYTELDQNYQTSLENVYNNDGLFPSNANDGTLVQSGAVLMDPATGGIRALVGGRGEHVFRGFNRATQMKAQPGSTMKPLAVYTPALQSGY-DVDSMLKDEKITYKGNYTPTNVGGV-YSGEVPMYKAVANSINAPAVWLLDQ-IGIDK-GVKSVEKFGITVPEKDRTLGLALGGMSKGASPVEMATAYATFANNGAKPESHIITKIVDPSGNTVYENVPKTKQIISETVSNEMTSMLLDVINTGTGQSA---------AVSGHEMAGKTGSTQVPFDDTSGTKDQWFVGYTPNLVGAVWMGYDKTDKEHYLTTTSSAGVSSLAHYVMNSGLQYQ-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZG9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2469 3587 1.45 8.13 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 1.45 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_3ZG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZG9-query.scw PDB file : Tito_Scwrl_3ZG9.pdb: